Re: [AMBER] Generating cpin file for constant pH in Amber9

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 3 Mar 2010 14:52:18 -0500

On Wed, Mar 3, 2010 at 2:47 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>> $ ambpdb -p VRQ6Imp.prmtop < VRQ6Imp.inpcrd > VRQ6Imp.stdin
>> lib-4001 : UNRECOVERABLE library error
>>   A READ operation tried to read past the end-of-file.
>> Encountered during a sequential formatted READ from unit 5
>>  Current format:    30 FORMAT(20A4)

If I'm not mistaken, unit 5 is fortran reserved for standard input.
This would then be the file you passed as stdin (namely the inpcrd).
I can't imagine the prmtop would be opened on unit 5. Check the
inpcrd to make sure that it is compatible with your prmtop file. You
may find VMD or something of the like helpful.

Good luck!
Jason

>
> You could read ambpdb code to determine whether unit 5 is the prmtop
> or the inpcrd. But if you tail them both, I suspect you will find
> one is truncated.
>
> Bill
>
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-- 
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Mar 03 2010 - 12:00:06 PST
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